HCID 66988573, compound → HCID 86659100, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([NH:6][c:7]2[c:8]3[c:9]([c:10]([CH3:11])[cH:12][c:13]([S:14]([c:15]4[cH:16][cH:17][cH:18][c:19]([C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH:30]=[O:31])[cH:32]4)(=[O:33])=[O:34])[cH:35]3)[n:36][cH:37][c:38]2[C:39]([NH2:40])=[O:41])[cH:42][cH:43][cH:44]1.[OH:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][S:57](=[O:58])(=[O:59])[c:60]1[cH:61][c:62]2[c:63]([NH:74][c:75]3[cH:76][c:77]([O:81][CH3:82])[cH:78][cH:79][cH:80]3)[c:64]([C:71](=[O:72])[NH2:73])[cH:65][n:66][c:67]2[c:68]([CH3:70])[cH:69]1>>[O:45]=[CH:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][S:57](=[O:58])(=[O:59])[c:60]1[cH:61][c:62]2[c:63]([NH:74][c:75]3[cH:76][c:77]([O:81][CH3:82])[cH:78][cH:79][cH:80]3)[c:64]([C:71](=[O:72])[NH2:73])[cH:65][n:66][c:67]2[c:68]([CH3:70])[cH:69]1Participants
3
Sources & evidence
- ORD record
- ord-eba7f0765f1a441184420834140bf005
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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